{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.985945 0.676135 ] [ 0.25 0.514055 0.176135 ] [ 0.25 0.014055 0.323865 ] [ 0.75 0.485945 0.823865 ] [ 0.75 0.126887 0.053128 ] [ 0.75 0.626887 0.446872 ] [ 0.25 0.373113 0.553128 ] [ 0.25 0.873113 0.946872 ] [ 0.75 0.271767 0.421985 ] [ 0.25 0.228233 0.921985 ] [ 0.75 0.771767 0.078015 ] [ 0.25 0.728233 0.578015 ] [ 0.529404 0.171111 0.496077 ] [ 0.969428 0.377279 0.354602 ] [ 0.75 0.165669 0.282916 ] [ 0.970596 0.671111 0.003923 ] [ 0.030572 0.622721 0.645398 ] [ 0.970596 0.171111 0.496077 ] [ 0.25 0.620822 0.436306 ] [ 0.029404 0.828889 0.503923 ] [ 0.25 0.834331 0.717084 ] [ 0.25 0.334331 0.782916 ] [ 0.469428 0.122721 0.854602 ] [ 0.529404 0.671111 0.003923 ] [ 0.75 0.665669 0.217084 ] [ 0.030572 0.122721 0.854602 ] [ 0.470596 0.828889 0.503923 ] [ 0.75 0.879178 0.936306 ] [ 0.029404 0.328889 0.996077 ] [ 0.469428 0.622721 0.645398 ] [ 0.470596 0.328889 0.996077 ] [ 0.969428 0.877279 0.145398 ] [ 0.25 0.120822 0.063694 ] [ 0.75 0.379178 0.563694 ] [ 0.530572 0.877279 0.145398 ] [ 0.530572 0.377279 0.354602 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Si" "Si" "Si" "Si" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.5496665 "source-unit" "angstrom" } "b" { "source-value" 9.52433889 "source-unit" "angstrom" } "c" { "source-value" 9.90833347 "source-unit" "angstrom" } }